(4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone
TL;DR: (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone (CAS 289476-03-5) is a chemical compound with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone
Also Known As: 3,5-dinitro 4-benzylpiperazinyl ketone, 1-benzyl-4-(3,5-dinitrobenzoyl)piperazine, BAS 00533546, (4-benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone, 3,5-dinitrophenyl 4-benzylpiperazinyl ketone
| Molecular Formula | C18H18N4O5 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 2.461 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.12772 |
| Heavy Atoms | 27 |
| Complexity | 831.0606 |
Chemical Identifiers
| CAS Number | 289476-03-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone (CAS 289476-03-5), with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone
Property Insights of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone
The XLogP value of 2.461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone?
The CAS number of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone is 289476-03-5.
What is the molecular formula of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone?
The molecular formula of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone is C18H18N4O5.
What is the molecular weight of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone?
The molecular weight of (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone is 370.13 g/mol.
Where can I buy (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone?
You can request a quote for (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylpiperazin-1-yl)-(3,5-dinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.